input word = C00034696

Metabolite InformationStructural formula
Name Steviolbioside
(-)-Steviolbioside
Formula C32H50O13
Mw 642.32514168
CAS RN 41093-60-1
C_ID C00034696 ,
InChIKey OMHUCGDTACNQEX-AEWGJXKDNA-N
InChICode InChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(40)41)19(31)6-10-32(15,14-31)45-27-25(23(38)21(36)17(13-34)43-27)44-26-24(39)22(37)20(35)16(12-33)42-26/h16-27,33-39H,1,4-14H2,2-3H3,(H,40,41)/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1
SMILES C1C[C@@]([C@@H]2[C@@](C1)([C@H]1[C@@]3(CC2)C[C@@](CC1)(C(=C)C3)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)CO)C)(C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeStevia rebaudiana Ref.
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